UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[[4-(6-chloro-2-pyridyl)piperazin-1-yl]methyl]thiazolidine-2-thione 3-[[4-(6-chloro-2-pyridyl)pipera…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 6.87 -14.55 0 4 0 23 328.894 3 ↓
Mid Mid (pH 6-8) 2.86 9.21 -51.49 1 4 1 24 329.902 3 ↓

Analogs

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Popular Name: 3-[[4-(3-chloro-2-pyridyl)piperazin-1-yl]methyl]thiazolidine-2-thione 3-[[4-(3-chloro-2-pyridyl)pipera…

Find On: PubMed — Wikipedia — Google

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 6.94 -15.83 0 4 0 23 328.894 3 ↓
Mid Mid (pH 6-8) 2.47 9.27 -47.91 1 4 1 24 329.902 3 ↓

Analogs

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Popular Name: 3-[[4-(5-bromo-2-pyridyl)piperazin-1-yl]methyl]thiazolidine-2-thione 3-[[4-(5-bromo-2-pyridyl)piperaz…

Find On: PubMed — Wikipedia — Google

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.82 7.04 -13.59 0 4 0 23 373.345 3 ↓
Mid Mid (pH 6-8) 2.82 9.36 -51.85 1 4 1 24 374.353 3 ↓

Parameters Provided:

ring.id = 543800
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 543800 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=543800&filter.purchasability=annotated

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